N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H14ClF4N7O — CID 134609817

IUPACN-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ccc(-c2ncc(NC(=O)c3cnn(-c4ccc(F)c5ncccc45)c3C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C23H14ClF4N7O/c1-34-8-6-17(33-34)20-15(24)9-12(10-30-20)32-22(36)14-11-31-35(21(14)23(26,27)28)18-5-4-16(25)19-13(18)3-2-7-29-19/h2-11H,1H3,(H,32,36)
InChIKeyUQONFXPOKQDTBE-UHFFFAOYSA-N
MW515.86 g/mol
LogP5.28
Rot. Bonds4

About N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609817) has the molecular formula C23H14ClF4N7O and a molecular weight of 515.86 g/mol. Its IUPAC name is N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609817
Molecular FormulaC23H14ClF4N7O
Molecular Weight515.86 g/mol
Exact Mass515.09
IUPAC NameN-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ccc(-c2ncc(NC(=O)c3cnn(-c4ccc(F)c5ncccc45)c3C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C23H14ClF4N7O/c1-34-8-6-17(33-34)20-15(24)9-12(10-30-20)32-22(36)14-11-31-35(21(14)23(26,27)28)18-5-4-16(25)19-13(18)3-2-7-29-19/h2-11H,1H3,(H,32,36)
InChIKeyUQONFXPOKQDTBE-UHFFFAOYSA-N
XLogP5.28
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.86
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-(7-chloroquinolin-4-yl)piperazino)(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanone
CID 2823699
US20240018122, Example 32
CID 168072231
1-methyl-4-(pyridin-4-ylmethylamino)-N-(quinolin-3-yl)-1H-pyrazole-5-carboxamide
CID 44439479
N-(4-chloro-3-(2H-indazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 45485712
7-[[2-Chloro-6-(trifluoromethyl)pyridin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554910
US11001578, Example 30
CID 121365099
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 131677170
US10301284, Example 15
CID 134177981
US10301284, Example 57
CID 134178041
US10301284, Example 91
CID 134178601
N-(5-chloro-6-(4-methyl-2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609734
N-(5-cyanopyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609737

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609817) is N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cn1ccc(-c2ncc(NC(=O)c3cnn(-c4ccc(F)c5ncccc45)c3C(F)(F)F)cc2Cl)n1.
What is the InChIKey of N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UQONFXPOKQDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4N7O/c1-34-8-6-17(33-34)20-15(24)9-12(10-30-20)32-22(36)14-11-31-35(21(14)23(26,27)28)18-5-4-16(25)19-13(18)3-2-7-29-19/h2-11H,1H3,(H,32,36).
What are the key properties of N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 515.86 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).